2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one

Hydrolysis

Link to relevant study record(s)

Reference

Endpoint:

hydrolysis

Type of information:

read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

data from handbook or collection of data

Remarks:

experimental data of read across substances

Justification for type of information:

Data for the target chemical is summarized based on the structurally similar read across chemicals

Reason / purpose for cross-reference:

read-across source

Reason / purpose for cross-reference:

read-across source

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

WoE report is based on two hydrolysis studies as-
1. and 2.

GLP compliance:

not specified

Specific details on test material used for the study:

- Name of test material (IUPAC name): 2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one
- Molecular formula: C16H8O2S2
- Molecular weight: 296.369 g/mol
- Smiles : O=C1c2c(S\C1=C1/Sc3c(cccc3)C1=O)cccc2
- InChI : 1S/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H/b16-15-
- Substance Type: Organic
- Physical State: Solid

Radiolabelling:

not specified

Analytical monitoring:

not specified

Remarks:

1. The study was performed at pH 5, 7 and 9, respectively.

Temp.:

25 °C

Remarks:

2. The study was performed at pH 4, 7 and 9, respectively.

Positive controls:

not specified

Negative controls:

not specified

Transformation products:

not specified

pH:

5

DT50:

44 d

Remarks on result:

other: 1. Other details not known

pH:

4

Temp.:

25 °C

DT50:

622 d

Remarks on result:

other: 2. Other details not known

Details on results:

1. The half-life period of test chemical was determined to be 44 days at pH 5.0 and test chemical was reported to be hydrolytically stable at pH 7 and 9, respectively.
2. The half-life period of test chemical was determined to be 622 days. Thus, test chemical was reported to be hydrolytically stable at pH 4 and at a temperature of 25⁰C.

Validity criteria fulfilled:

not specified

Conclusions:

On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be 44 days at pH 5.0 and it was reported to be hydrolytically stable at pH 7 & 9, respectively or 622 days at pH 4 and at a temperature of 25⁰C. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.

Executive summary:

Data available for the test chemical has been reviewed to determine the half-life of hydrolysis as a function of pH. The studies are as mentioned below:

 

The half-life of the test chemical was determined at different pH range. The study was performed at pH of 5, 7 and 9, respectively. The half-life period of test chemical was determined to be 44 days at pH 5.0 and test chemical was reported to be hydrolytically stable at pH 7 and 9, respectively. On the basis of this, test chemical is considered to be not hydrolysable.

 

In an another study, the half-life of the test chemical was determined at different pH range. The study was performed according to OECD Guideline 111 (Hydrolysis as a Function of pH) at a temperature of 25°C and pH of 4, 7 and 9, respectively. The half-life period of test chemical was determined to be 622 days at pH 4, respectively. Thus, test chemical was reported to be hydrolytically stable at pH 4 and at a temperature of 25⁰C. On the basis of this, test chemical is considered to be not hydrolysable.

 

On the basis of the experimental studies of the test chemical and applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be 44 days at pH 5.0 and it was reported to be hydrolytically stable at pH 7 & 9, respectively or 622 days at pH 4 and at a temperature of 25⁰C. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.

Description of key information

On the basis of the experimental studies of thetest chemicaland applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be 44 days at pH 5.0 and it was reported to be hydrolytically stable at pH 7 & 9, respectively or 622 days at pH 4 and at a temperature of 25⁰C. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.

Additional information

Data available for the test chemical has been reviewed to determine the half-life of hydrolysis as a function of pH. The studies are as mentioned below:

 

The half-life of the test chemical was determined at different pH range. The study was performed at pH of 5, 7 and 9, respectively. The half-life period of test chemical was determined to be 44 days at pH 5.0 and test chemical was reported to be hydrolytically stable at pH 7 and 9, respectively. On the basis of this, test chemical is considered to be not hydrolysable.

 

In an another study, the half-life of the test chemical was determined at different pH range. The study was performed according to OECD Guideline 111 (Hydrolysis as a Function of pH) at a temperature of 25°C and pH of 4, 7 and 9, respectively. The half-life period of test chemical was determined to be 622 days at pH 4, respectively. Thus, test chemical was reported to be hydrolytically stable at pH 4 and at a temperature of 25⁰C. On the basis of this, test chemical is considered to be not hydrolysable.

 

On the basis of the experimental studies of thetest chemicaland applying the weight of evidence approach, the hydrolysis half-life value of the test chemical can be expected to be 44 days at pH 5.0 and it was reported to be hydrolytically stable at pH 7 & 9, respectively or 622 days at pH 4 and at a temperature of 25⁰C. Thus, based on this half-life value, it can be concluded that the test chemical is not hydrolysable.